Chemical ID: 5241778

C[N+]1(CCCC(C1)O)Cc2ccccc2
Chemical ID:
5241778
Name [?]:
1-benzyl-1-methyl-3,4,5,6-tetrahydro-2H-pyridin-3-ol
SMILES [?]:
C[N+]1(CCCC(C1)O)Cc2ccccc2
InChi [?]:
InChI=1/C13H20NO/c1-14(9-5-8-13(15)11-14)10-12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,13,12,14,4,11,15,5,3,9,7,10,6,2,8/E:(3,4)(6,7)/CRV:14+1/rA:15cCN+CCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s2;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20NO+
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:-19.2738
Area:372.131
Solvation:-28.577
Coulombic:6.8476
Bond Count [?]
All:16
Single:13
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:206.304
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.33
LogP (Chemaxon):-2.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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